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(Q82994796)
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English
Heyneaninehydroxyindolenine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
0 references
mass
370.189257312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₂O₄
0 references
canonical SMILES
O=C(OC)C12C3=NC=4C=CC=CC4C3(O)CCN5CC(CC(C(O)C)C51)C2
0 references
isomeric SMILES
COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccccc21)C3
0 references
found in taxon
Tabernaemontana peduncularis
1 reference
stated in
Alkaloids from leaves and stem bark of Ervatamia peduncularis
Tabernaemontana divaricata
1 reference
stated in
Heyneanine Hydroxyindolenine, A New Indole Alkaloid from Ervatamia coronaria var. plena
Tabernaemontana bufalina
1 reference
stated in
Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities
Identifiers
InChI
InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-20(19(25)27-2)17(14)23(11-13)8-7-21(26)15-5-3-4-6-16(15)22-18(20)21/h3-6,12-14,17,24,26H,7-11H2,1-2H3/t12-,13+,14-,17-,20-,21+/m0/s1
0 references
InChIKey
BPKMKKDJAWRIOB-ZOHLKMAYSA-N
0 references
CAS Registry Number
80151-98-0
0 references
PubChem CID
157416
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BPKMKKDJAWRIOB-ZOHLKMAYSA-N
UniChem compound ID
66290879
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301001004
1 reference
matched by identifier from
InChIKey
InChIKey
BPKMKKDJAWRIOB-ZOHLKMAYSA-N
DSSTOX compound identifier
DTXCID101427961
0 references
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